N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide

C18H16N4O5 — CID 4543096

IUPACN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16N4O5/c1-10-5-3-4-6-14(10)27-9-15(23)20-21-17-13-8-12(22(25)26)7-11(2)16(13)19-18(17)24/h3-8,19,24H,9H2,1-2H3/b21-20+
InChIKeyMIEMLJMYKFVXMJ-QZQOTICOSA-N
MW368.35 g/mol
LogP4.09
Rot. Bonds5

About N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide

N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide (PubChem CID 4543096) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
PubChem CID4543096
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16N4O5/c1-10-5-3-4-6-14(10)27-9-15(23)20-21-17-13-8-12(22(25)26)7-11(2)16(13)19-18(17)24/h3-8,19,24H,9H2,1-2H3/b21-20+
InChIKeyMIEMLJMYKFVXMJ-QZQOTICOSA-N
XLogP4.09
TPSA130.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 3500750
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5197654
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(4-nitrophenoxy)acetamide
CID 3480340
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide (CID 4543096) is N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The InChIKey is MIEMLJMYKFVXMJ-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-10-5-3-4-6-14(10)27-9-15(23)20-21-17-13-8-12(22(25)26)7-11(2)16(13)19-18(17)24/h3-8,19,24H,9H2,1-2H3/b21-20+.
What are the key properties of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide has a molecular weight of 368.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 4543096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).